4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pentanoic acid

C12H21N3O2 — CID 79236312

IUPAC4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pentanoic acid
SMILESCc1nn(C)c(C)c1CNC(C)CCC(=O)O
InChIInChI=1S/C12H21N3O2/c1-8(5-6-12(16)17)13-7-11-9(2)14-15(4)10(11)3/h8,13H,5-7H2,1-4H3,(H,16,17)
InChIKeyCGQNPVPNWJMDQB-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.38
Rot. Bonds6

About 4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pentanoic acid

4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pentanoic acid (PubChem CID 79236312) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pentanoic acid.

Molecular Properties

Compound Name4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pentanoic acid
PubChem CID79236312
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pentanoic acid
SMILESCc1nn(C)c(C)c1CNC(C)CCC(=O)O
InChIInChI=1S/C12H21N3O2/c1-8(5-6-12(16)17)13-7-11-9(2)14-15(4)10(11)3/h8,13H,5-7H2,1-4H3,(H,16,17)
InChIKeyCGQNPVPNWJMDQB-UHFFFAOYSA-N
XLogP1.38
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methoxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine
CID 43180580
3-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-1-ol
CID 79254884
3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]butanoic acid
CID 43360913
N-tert-butyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propanamide
CID 78990459
(2S)-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]nonanoic acid
CID 162690079
3-[propan-2-yl-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]propanoic acid
CID 60831751
6-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-2-methylheptanoic acid
CID 65289338
(2S)-2-amino-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide
CID 79236660
4-(3-methylphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]butan-2-amine
CID 79230814
4-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]butanoic acid
CID 119170957
4-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pentan-1-ol
CID 61246554
2-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propanamide
CID 79236503

Frequently Asked Questions

What is the IUPAC name of 4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pentanoic acid?
The IUPAC name of 4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pentanoic acid (CID 79236312) is 4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pentanoic acid.
What is the SMILES notation for 4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pentanoic acid?
The canonical SMILES for 4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pentanoic acid is Cc1nn(C)c(C)c1CNC(C)CCC(=O)O.
What is the InChIKey of 4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pentanoic acid?
The InChIKey is CGQNPVPNWJMDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-8(5-6-12(16)17)13-7-11-9(2)14-15(4)10(11)3/h8,13H,5-7H2,1-4H3,(H,16,17).
What are the key properties of 4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pentanoic acid?
4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pentanoic acid has a molecular weight of 239.32 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pentanoic acid is sourced from PubChem (CID 79236312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).